CID 156962953

2-ethylpropanedioylcarnitine

Structural Information

Molecular Formula
C12H22NO6
SMILES
CCC(C(=O)O)C(=O)OC(CC(=O)O)C[N+](C)(C)C
InChI
InChI=1S/C12H21NO6/c1-5-9(11(16)17)12(18)19-8(6-10(14)15)7-13(2,3)4/h8-9H,5-7H2,1-4H3,(H-,14,15,16,17)/p+1
InChIKey
HWVVDTFMNSFBTH-UHFFFAOYSA-O
Compound name
[3-carboxy-2-(2-carboxybutanoyloxy)propyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.1447 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.15198 159.7
[M+Na]+ 299.13392 165.8
[M+NH4]+ 294.17852 163.5
[M+K]+ 315.10786 166.9
[M-H]- 275.13742 156.1
[M+Na-2H]- 297.11937 158.9
[M]+ 276.14415 159.2
[M]- 276.14525 159.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.